2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide

C14H27N5O — CID 43375197

IUPAC2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
SMILESCCCNCc1c(C)nn(C)c1N(C)CC(=O)N(C)C
InChIInChI=1S/C14H27N5O/c1-7-8-15-9-12-11(2)16-19(6)14(12)18(5)10-13(20)17(3)4/h15H,7-10H2,1-6H3
InChIKeySRRFDSJIXFBMPR-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.75
Rot. Bonds7

About 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide

2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 43375197) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID43375197
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide
SMILESCCCNCc1c(C)nn(C)c1N(C)CC(=O)N(C)C
InChIInChI=1S/C14H27N5O/c1-7-8-15-9-12-11(2)16-19(6)14(12)18(5)10-13(20)17(3)4/h15H,7-10H2,1-6H3
InChIKeySRRFDSJIXFBMPR-UHFFFAOYSA-N
XLogP0.75
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide (CID 43375197) is 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide is CCCNCc1c(C)nn(C)c1N(C)CC(=O)N(C)C.
What is the InChIKey of 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is SRRFDSJIXFBMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-7-8-15-9-12-11(2)16-19(6)14(12)18(5)10-13(20)17(3)4/h15H,7-10H2,1-6H3.
What are the key properties of 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide?
2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 281.40 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 43375197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).